Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1003068 | 0.79 | DYRK1A (0.53) | ADORA1ADORA2ASMN1; SMN2DYRK1ANPC1 | |
| SCHEMBL10429370 | 0.79 | ADORA1 (0.54) | ADORA1ADORA2AKDM4EKMT2AALDH1A1 | |
| SCHEMBL16879478 | 0.78 | ALDH1A1 (0.59) | ADORA1ADORA2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL16891621 | 0.75 | ADORA1 (0.66) | ADORA1ADORA2ANPC1RAB9AKDM4E | |
| SCHEMBL16739956 | 0.74 | ADORA2A (0.50) | ADORA1ADORA2ASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL7689092 | 0.72 | POLB (0.49) | ADORA1ADORA2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18447982 | 0.72 | TDP1 (0.61) | ADORA1SMN1; SMN2DYRK1ANPC1RAB9A | |
| SCHEMBL20522349 | 0.72 | KDM4E (0.54) | ADORA1ADORA2ADYRK1ANPC1RAB9A | |
| SCHEMBL30610423 | 0.72 | KDM4E (0.54) | ADORA1ADORA2ADYRK1ANPC1RAB9A | |
| SCHEMBL10429365 | 0.72 | KDM4E (0.52) | DYRK1AKDM4EKMT2AALDH1A1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4920119-A | XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA | HOFFMANN-LA ROCHE INC. (US) | 1990-04-24 | — | — | US | disclosed |
| EP-0274654-A2 | 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-20 | — | — | EP | disclosed |